5-methyl-4-phosphono-nonane-2,3,4-tricarboxylic acid

Systemtic Name: 5-methyl-4-phosphono-nonane-2,3,4-tricarboxylic acid Openeye Name: 5-methyl-4-phosphono-nonane-2,3,4-tricarboxylic acid CAS Name: 5-methyl-4-phosphonononane-2,3,4-tricarboxylic acid IUPAC Name: 5-methyl-4-phosphonononane-2,3,4-tricarboxylic acid Traditional Name: 5-methyl-4-phosphono-nonane-2,3,4-tricarboxylic acid Formula: C13H23O9P MolecularWeight: 354.290081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C(=O)O)C(C(CC)C(=O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(C)(C(=O)O)C(C(CC)C(=O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C13H23O9P/c1-4-6-7-12(3,10(16)17)13(11(18)19,23(20,21)22)8(5-2)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)(H,16,17)(H,18,19)(H2,20,21,22)